5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

C23H23N7 — CID 87913804

IUPAC5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILES[2H]C([2H])([2H])C([2H])([2H])C1c2nncn2-c2cnc(-c3ccncc3-c3ccccc3)nc2N1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C23H23N7/c1-4-19-23-28-26-14-29(23)20-13-25-21(27-22(20)30(19)15(2)3)17-10-11-24-12-18(17)16-8-6-5-7-9-16/h5-15,19H,4H2,1-3H3/i1D3,2D3,3D3,4D2,15D
InChIKeyUKPBIDLEVWEKEO-HBVIYBORSA-N
MW409.56 g/mol
LogP4.47
Rot. Bonds7

About 5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 87913804) has the molecular formula C23H23N7 and a molecular weight of 409.56 g/mol. Its IUPAC name is 5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID87913804
Molecular FormulaC23H23N7
Molecular Weight409.56 g/mol
Exact Mass409.28
IUPAC Name5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILES[2H]C([2H])([2H])C([2H])([2H])C1c2nncn2-c2cnc(-c3ccncc3-c3ccccc3)nc2N1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C23H23N7/c1-4-19-23-28-26-14-29(23)20-13-25-21(27-22(20)30(19)15(2)3)17-10-11-24-12-18(17)16-8-6-5-7-9-16/h5-15,19H,4H2,1-3H3/i1D3,2D3,3D3,4D2,15D
InChIKeyUKPBIDLEVWEKEO-HBVIYBORSA-N
XLogP4.47
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine with MolForge

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Related Compounds

4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979961
(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979507
4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine
CID 66979234
(4R)-7-[2-(3-fluorophenyl)imidazol-1-yl]-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,2,2,2-pentadeuterioethyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87423224
(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979399
4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979728
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one
CID 58405739
4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole
CID 66979577
tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate
CID 77406461
4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979936
(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499387
(4R)-5-(cyclobutadienyl)-4-ethyl-7-(5-phenylpyrazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979719

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 87913804) is 5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is [2H]C([2H])([2H])C([2H])([2H])C1c2nncn2-c2cnc(-c3ccncc3-c3ccccc3)nc2N1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is UKPBIDLEVWEKEO-HBVIYBORSA-N. The full InChI is InChI=1S/C23H23N7/c1-4-19-23-28-26-14-29(23)20-13-25-21(27-22(20)30(19)15(2)3)17-10-11-24-12-18(17)16-8-6-5-7-9-16/h5-15,19H,4H2,1-3H3/i1D3,2D3,3D3,4D2,15D.
What are the key properties of 5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 409.56 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 87913804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).